Information card for entry 7024434

Structure parameters

• Common name: [Pt(trpy)(NCS)]SbF6.CH3CN
• Formula: C18 H14 F6 N5 Pt S Sb
• Calculated formula: C18 H14 F6 N5 Pt S Sb
• SMILES: [Pt]12([n]3ccccc3c3cccc([n]13)c1cccc[n]21)N=C=S.[Sb](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Speciation in solution, solid state spectroscopy and vapochromism of [Pt(trpy)(NCS)]SbF(6) where trpy = 2,2':6',2''-terpyridine.
• Authors of publication: Field, John S.; Grimmer, Craig D.; Munro, Orde Q.; Waldron, Bradley P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 6
• Pages of publication: 1558 - 1567
• a: 7.306 ± 0.002 Å
• b: 12.397 ± 0.004 Å
• c: 13.622 ± 0.004 Å
• α: 110.352 ± 0.016°
• β: 95.803 ± 0.016°
• γ: 101.299 ± 0.012°
• Cell volume: 1115 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0396
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No